SCHEMBL6186315

SCHEMBL6186315

COc1ccc(S(=O)(=O)N2CCc3c(OC)ccc(OC)c3C2)cc1N1CCN(C)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.78
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6187759 0.99 HTR6 (0.77) HTR6CYP3A4CYP2C19USP2LMNA
SCHEMBL6186973 0.89 HTR6 (0.80) HTR6CYP3A4CYP2C19USP2LMNA
Hydrochloric Acid SCHEMBL6187971 0.88 HTR6 (0.78) HTR6CYP3A4CYP2C19USP2LMNA
SCHEMBL6191503 0.88 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6185504 0.87 HTR6 (0.60) HTR6CYP3A4CYP2C19USP2LMNA
Hydrochloric Acid SCHEMBL6190135 0.87 HTR6 (0.98) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6186158 0.86 PKM (0.65) HTR6CYP3A4CYP2C19USP2LMNA
SCHEMBL6186233 0.86 HTR6 (0.59) HTR6CYP3A4CYP2C19USP2LMNA
SCHEMBL6187107 0.86 HTR6 (0.65) HTR6CYP3A4CYP2C19USP2LMNA
Hydrochloric Acid SCHEMBL6188558 0.86 HTR6 (0.59) HTR6CYP3A4CYP2C19USP2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US claimed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP claimed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO claimed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US disclosed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP disclosed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO disclosed